General Information of the Compound
| Compound ID |
CP0416176
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| Compound Name |
(2S)-1-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C21H31ClN4O2
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| Molecular Weight |
406.958
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1ccccc1Cl
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| InChI |
InChI=1S/C21H31ClN4O2/c22-17-7-3-4-8-18(17)25-15-13-24(14-16-25)11-5-1-2-10-20(27)26-12-6-9-19(26)21(23)28/h3-4,7-8,19H,1-2,5-6,9-16H2,(H2,23,28)/t19-/m0/s1
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| InChIKey |
FODMRPDMSZJNCU-IBGZPJMESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7